9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one

C10H17N3OS — CID 82997702

IUPAC9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
SMILESCCN1CCCC2(CC1)NC(=S)NC2=O
InChIInChI=1S/C10H17N3OS/c1-2-13-6-3-4-10(5-7-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15)
InChIKeyJLQRQMAJTAYFJI-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.24
Rot. Bonds1

About 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one

9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one (PubChem CID 82997702) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one.

Molecular Properties

Compound Name9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
PubChem CID82997702
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
SMILESCCN1CCCC2(CC1)NC(=S)NC2=O
InChIInChI=1S/C10H17N3OS/c1-2-13-6-3-4-10(5-7-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15)
InChIKeyJLQRQMAJTAYFJI-UHFFFAOYSA-N
XLogP0.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

8-propyl-2-sulfanylidene-1,3,8-triazaspiro[4.5]decan-4-one
CID 82997209
7-methyl-2-sulfanylidene-1,3,7-triazaspiro[4.4]nonan-4-one
CID 82996204
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 82996588
7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 115563254
1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70758496
2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
CID 130933847
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97151123
4-amino-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
CID 79959427
8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098573

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one?
The IUPAC name of 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one (CID 82997702) is 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one.
What is the SMILES notation for 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one?
The canonical SMILES for 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one is CCN1CCCC2(CC1)NC(=S)NC2=O.
What is the InChIKey of 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one?
The InChIKey is JLQRQMAJTAYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-13-6-3-4-10(5-7-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15).
What are the key properties of 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one?
9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one has a molecular weight of 227.33 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one is sourced from PubChem (CID 82997702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).